3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one

C16H15FO2 — CID 82782955

IUPAC3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc(F)cc1CCC(=O)c1ccccc1
InChIInChI=1S/C16H15FO2/c1-19-16-10-8-14(17)11-13(16)7-9-15(18)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyJREBFVGFVSIPQN-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.65
Rot. Bonds5

About 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one

3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one (PubChem CID 82782955) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
PubChem CID82782955
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
SMILESCOc1ccc(F)cc1CCC(=O)c1ccccc1
InChIInChI=1S/C16H15FO2/c1-19-16-10-8-14(17)11-13(16)7-9-15(18)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3
InChIKeyJREBFVGFVSIPQN-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one (CID 82782955) is 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one is COc1ccc(F)cc1CCC(=O)c1ccccc1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is JREBFVGFVSIPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-16-10-8-14(17)11-13(16)7-9-15(18)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one?
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 258.29 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 82782955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).